Information card for entry 7156512

Structure parameters

• Formula: C29 H20 Br N O4 S
• Calculated formula: C29 H20 Br N O4 S
• Title of publication: Highly diastereoselective synthesis of cyclopropane-fused spiro-pseudoindoxyl derivatives through [2 + 1] annulation of 2-ylideneoxindoles and sulfonium bromides.
• Authors of publication: Tang, Xue; Zhu, Hong-Ping; Zhou, Jin; Chen, Yang; Pan, Xiao-Li; Guo, Li; Li, Jun-Long; Peng, Cheng; Huang, Wei
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2018
• Journal volume: 16
• Journal issue: 43
• Pages of publication: 8169 - 8174
• a: 9.8247 ± 0.0005 Å
• b: 11.526 ± 0.0006 Å
• c: 11.6543 ± 0.0005 Å
• α: 86.407 ± 0.004°
• β: 74.525 ± 0.004°
• γ: 72.819 ± 0.005°
• Cell volume: 1214.94 ± 0.11 ų
• Cell temperature: 266 ± 10 K
• Ambient diffraction temperature: 266 ± 10 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0612
• Residual factor for significantly intense reflections: 0.0578
• Weighted residual factors for significantly intense reflections: 0.1459
• Weighted residual factors for all reflections included in the refinement: 0.1505
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No